(4S)-N-[(2S,4S)-2-(hydroxymethyl)oxan-4-yl]-3,3-dimethyl-1-(8-methylquinolin-2-yl)piperidine-4-carboxamide

C24H33N3O3 — CID 121313704

IUPAC(4S)-N-[(2S,4S)-2-(hydroxymethyl)oxan-4-yl]-3,3-dimethyl-1-(8-methylquinolin-2-yl)piperidine-4-carboxamide
SMILESCc1cccc2ccc(N3CC[C@H](C(=O)N[C@H]4CCO[C@H](CO)C4)C(C)(C)C3)nc12
InChIInChI=1S/C24H33N3O3/c1-16-5-4-6-17-7-8-21(26-22(16)17)27-11-9-20(24(2,3)15-27)23(29)25-18-10-12-30-19(13-18)14-28/h4-8,18-20,28H,9-15H2,1-3H3,(H,25,29)/t18-,19-,20+/m0/s1
InChIKeyOLJFTJILJDDJGV-SLFFLAALSA-N
MW411.55 g/mol
LogP3.05
Rot. Bonds4

About (4S)-N-[(2S,4S)-2-(hydroxymethyl)oxan-4-yl]-3,3-dimethyl-1-(8-methylquinolin-2-yl)piperidine-4-carboxamide

(4S)-N-[(2S,4S)-2-(hydroxymethyl)oxan-4-yl]-3,3-dimethyl-1-(8-methylquinolin-2-yl)piperidine-4-carboxamide (PubChem CID 121313704) has the molecular formula C24H33N3O3 and a molecular weight of 411.55 g/mol. Its IUPAC name is (4S)-N-[(2S,4S)-2-(hydroxymethyl)oxan-4-yl]-3,3-dimethyl-1-(8-methylquinolin-2-yl)piperidine-4-carboxamide.

Molecular Properties

Compound Name(4S)-N-[(2S,4S)-2-(hydroxymethyl)oxan-4-yl]-3,3-dimethyl-1-(8-methylquinolin-2-yl)piperidine-4-carboxamide
PubChem CID121313704
Molecular FormulaC24H33N3O3
Molecular Weight411.55 g/mol
Exact Mass411.25
IUPAC Name(4S)-N-[(2S,4S)-2-(hydroxymethyl)oxan-4-yl]-3,3-dimethyl-1-(8-methylquinolin-2-yl)piperidine-4-carboxamide
SMILESCc1cccc2ccc(N3CC[C@H](C(=O)N[C@H]4CCO[C@H](CO)C4)C(C)(C)C3)nc12
InChIInChI=1S/C24H33N3O3/c1-16-5-4-6-17-7-8-21(26-22(16)17)27-11-9-20(24(2,3)15-27)23(29)25-18-10-12-30-19(13-18)14-28/h4-8,18-20,28H,9-15H2,1-3H3,(H,25,29)/t18-,19-,20+/m0/s1
InChIKeyOLJFTJILJDDJGV-SLFFLAALSA-N
XLogP3.05
TPSA74.69 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.55
LogP ≤ 53.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze (4S)-N-[(2S,4S)-2-(hydroxymethyl)oxan-4-yl]-3,3-dimethyl-1-(8-methylquinolin-2-yl)piperidine-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(4S)-N-[4-(hydroxymethyl)cyclohexyl]-3,3-dimethyl-1-(8-methylquinolin-2-yl)piperidine-4-carboxamide
CID 121313880
(4S)-N-[(1S,3S)-3-(hydroxymethyl)cyclohexyl]-3,3-dimethyl-1-(8-methylquinolin-2-yl)piperidine-4-carboxamide
CID 121313890
(4S)-3,3-dimethyl-1-(8-methylquinolin-2-yl)-N-[(3S)-oxan-3-yl]piperidine-4-carboxamide
CID 121313869
(4S)-3,3-dimethyl-N-[(2R)-3-methylbutan-2-yl]-1-(8-methylquinolin-2-yl)piperidine-4-carboxamide
CID 121313879
(4S)-3,3-dimethyl-1-(8-methylquinolin-2-yl)-N-[(3S)-oxolan-3-yl]piperidine-4-carboxamide
CID 134141201
N-(3-isopropoxypropyl)-N'-[4-methyl-2-(4-methylpiperazin-1-yl)quinolin-6-yl]succinamide
CID 22427032
[1-(4-methylquinolin-2-yl)-4-(tetrahydro-2H-pyran-2-ylmethyl)piperidin-4-yl]methanol
CID 56744502
3-(2-aminoquinolin-3-yl)-1-[(5R,6R)-5-hydroxy-2-oxa-8-azaspiro[5.5]undecan-8-yl]propan-1-one
CID 155547494
2-[3-(hydroxymethyl)piperidin-1-yl]-N-(1-phenylpropyl)quinoline-4-carboxamide
CID 44215294
1-(6-Acetamido-4-methylquinolin-2-YL)-N-[3-(propan-2-yloxy)propyl]piperidine-4-carboxamide
CID 50825483
1-(6-acetamido-4-methylquinolin-2-yl)-N-(3-ethoxypropyl)piperidine-4-carboxamide
CID 50825502
1-(6-acetamido-4-methylquinolin-2-yl)-N-(3-methoxypropyl)piperidine-4-carboxamide
CID 50825595

Frequently Asked Questions

What is the IUPAC name of (4S)-N-[(2S,4S)-2-(hydroxymethyl)oxan-4-yl]-3,3-dimethyl-1-(8-methylquinolin-2-yl)piperidine-4-carboxamide?
The IUPAC name of (4S)-N-[(2S,4S)-2-(hydroxymethyl)oxan-4-yl]-3,3-dimethyl-1-(8-methylquinolin-2-yl)piperidine-4-carboxamide (CID 121313704) is (4S)-N-[(2S,4S)-2-(hydroxymethyl)oxan-4-yl]-3,3-dimethyl-1-(8-methylquinolin-2-yl)piperidine-4-carboxamide.
What is the SMILES notation for (4S)-N-[(2S,4S)-2-(hydroxymethyl)oxan-4-yl]-3,3-dimethyl-1-(8-methylquinolin-2-yl)piperidine-4-carboxamide?
The canonical SMILES for (4S)-N-[(2S,4S)-2-(hydroxymethyl)oxan-4-yl]-3,3-dimethyl-1-(8-methylquinolin-2-yl)piperidine-4-carboxamide is Cc1cccc2ccc(N3CC[C@H](C(=O)N[C@H]4CCO[C@H](CO)C4)C(C)(C)C3)nc12.
What is the InChIKey of (4S)-N-[(2S,4S)-2-(hydroxymethyl)oxan-4-yl]-3,3-dimethyl-1-(8-methylquinolin-2-yl)piperidine-4-carboxamide?
The InChIKey is OLJFTJILJDDJGV-SLFFLAALSA-N. The full InChI is InChI=1S/C24H33N3O3/c1-16-5-4-6-17-7-8-21(26-22(16)17)27-11-9-20(24(2,3)15-27)23(29)25-18-10-12-30-19(13-18)14-28/h4-8,18-20,28H,9-15H2,1-3H3,(H,25,29)/t18-,19-,20+/m0/s1.
What are the key properties of (4S)-N-[(2S,4S)-2-(hydroxymethyl)oxan-4-yl]-3,3-dimethyl-1-(8-methylquinolin-2-yl)piperidine-4-carboxamide?
(4S)-N-[(2S,4S)-2-(hydroxymethyl)oxan-4-yl]-3,3-dimethyl-1-(8-methylquinolin-2-yl)piperidine-4-carboxamide has a molecular weight of 411.55 g/mol, XLogP of 3.05, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-N-[(2S,4S)-2-(hydroxymethyl)oxan-4-yl]-3,3-dimethyl-1-(8-methylquinolin-2-yl)piperidine-4-carboxamide is sourced from PubChem (CID 121313704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).